6-chloro-2-(3-chlorophenyl)-3-methoxypyridine

C12H9Cl2NO — CID 174463483

IUPAC6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
SMILESCOc1ccc(Cl)nc1-c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c1-16-10-5-6-11(14)15-12(10)8-3-2-4-9(13)7-8/h2-7H,1H3
InChIKeyRXLUBRRNQHIEIE-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.06
Rot. Bonds2

About 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine

6-chloro-2-(3-chlorophenyl)-3-methoxypyridine (PubChem CID 174463483) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine.

Molecular Properties

Compound Name6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
PubChem CID174463483
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
SMILESCOc1ccc(Cl)nc1-c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c1-16-10-5-6-11(14)15-12(10)8-3-2-4-9(13)7-8/h2-7H,1H3
InChIKeyRXLUBRRNQHIEIE-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine?
The IUPAC name of 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine (CID 174463483) is 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine.
What is the SMILES notation for 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine?
The canonical SMILES for 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine is COc1ccc(Cl)nc1-c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine?
The InChIKey is RXLUBRRNQHIEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-16-10-5-6-11(14)15-12(10)8-3-2-4-9(13)7-8/h2-7H,1H3.
What are the key properties of 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine?
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine has a molecular weight of 254.12 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chlorophenyl)-3-methoxypyridine is sourced from PubChem (CID 174463483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).